3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea

C14H20N4O — CID 82245948

IUPAC3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccccc1C1=NCCN1
InChIInChI=1S/C14H20N4O/c1-3-18(4-2)14(19)17-12-8-6-5-7-11(12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyIRNKNXUPPKCOTP-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds4

About 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea

3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea (PubChem CID 82245948) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
PubChem CID82245948
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccccc1C1=NCCN1
InChIInChI=1S/C14H20N4O/c1-3-18(4-2)14(19)17-12-8-6-5-7-11(12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)(H,17,19)
InChIKeyIRNKNXUPPKCOTP-UHFFFAOYSA-N
XLogP1.91
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245950
2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
CID 82241350
2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
CID 82240061
2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
1,1-diethyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)urea
CID 79161957
1-(benzenesulfonyl)-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperidine-4-carboxamide
CID 82253153
1,1-diethyl-3-(2-propylphenyl)urea
CID 113233204
3-phenoxy-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240192
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
1,1-diethyl-3-(1H-pyrazol-5-yl)urea
CID 79161873
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
CID 82242863

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
The IUPAC name of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea (CID 82245948) is 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
The canonical SMILES for 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea is CCN(CC)C(=O)Nc1ccccc1C1=NCCN1.
What is the InChIKey of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
The InChIKey is IRNKNXUPPKCOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-18(4-2)14(19)17-12-8-6-5-7-11(12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)(H,17,19).
What are the key properties of 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea?
3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea has a molecular weight of 260.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea is sourced from PubChem (CID 82245948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).